methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate

C20H17NO3 — CID 18508353

IUPACmethyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C20H17NO3/c1-23-20(22)18-11-12-19(21-13-18)24-14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyUHKQDUXXWPGFRF-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.11
Rot. Bonds5

About methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate

methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate (PubChem CID 18508353) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
PubChem CID18508353
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C20H17NO3/c1-23-20(22)18-11-12-19(21-13-18)24-14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyUHKQDUXXWPGFRF-UHFFFAOYSA-N
XLogP4.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
CID 59042084
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
(4-phenylphenyl)methyl 6-chloropyridine-3-carboxylate
CID 18225999
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate
CID 175233380
methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate
CID 156540912
methyl 2-phenylazulene-6-carboxylate
CID 23257786

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate (CID 18508353) is methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate is COC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)nc1.
What is the InChIKey of methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate?
The InChIKey is UHKQDUXXWPGFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-23-20(22)18-11-12-19(21-13-18)24-14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate?
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 18508353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).